4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate

Systemtic Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate CAS Name: 4-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)C(=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2O3/c20-16-2-1-3-17(14-16)22-10-8-21(9-11-22)12-13-25-18-6-4-15(5-7-18)19(23)24/h1-7,14H,8-13H2,(H,23,24)